2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate

C16H24N2O4 — CID 7271101

IUPAC2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate
SMILESCCN(CC)/C(=N/C(=O)c1ccc(OC)cc1)OCCOC
InChIInChI=1S/C16H24N2O4/c1-5-18(6-2)16(22-12-11-20-3)17-15(19)13-7-9-14(21-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3/b17-16-
InChIKeyIAWMXGFRMSWJQG-MSUUIHNZSA-N
MW308.38 g/mol
LogP2.20
Rot. Bonds7

About 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate

2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate (PubChem CID 7271101) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate.

Molecular Properties

Compound Name2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate
PubChem CID7271101
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate
SMILESCCN(CC)/C(=N/C(=O)c1ccc(OC)cc1)OCCOC
InChIInChI=1S/C16H24N2O4/c1-5-18(6-2)16(22-12-11-20-3)17-15(19)13-7-9-14(21-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3/b17-16-
InChIKeyIAWMXGFRMSWJQG-MSUUIHNZSA-N
XLogP2.20
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate?
The IUPAC name of 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate (CID 7271101) is 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate.
What is the SMILES notation for 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate?
The canonical SMILES for 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate is CCN(CC)/C(=N/C(=O)c1ccc(OC)cc1)OCCOC.
What is the InChIKey of 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate?
The InChIKey is IAWMXGFRMSWJQG-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-18(6-2)16(22-12-11-20-3)17-15(19)13-7-9-14(21-4)10-8-13/h7-10H,5-6,11-12H2,1-4H3/b17-16-.
What are the key properties of 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate?
2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate has a molecular weight of 308.38 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N,N-diethyl-N'-(4-methoxybenzoyl)carbamimidate is sourced from PubChem (CID 7271101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).